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CHEBI:73025 - O-isovalerylcarnitine

ChEBI IDCHEBI:73025
ChEBI NameO-isovalerylcarnitine
Stars
ASCII NameO-isovalerylcarnitine
DefinitionA C5-acylcarnitine having isovaleryl as the acyl substituent.
Last Modified23 October 2015
Submittermwilliams
DownloadsMolfile
FormulaC12H23NO4
Net Charge0
Average Mass245.319
Monoisotopic Mass245.16271
SMILESCC(C)CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C
InChIInChI=1S/C12H23NO4/c1-9(2)6-12(16)17-10(7-11(14)15)8-13(3,4)5/h9-10H,6-8H2,1-5H3
InChIKeyIGQBPDJNUXPEMT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (16602101)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
O-isovalerylcarnitine (CHEBI:73025) has functional parent isovaleric acid (CHEBI:28484)
O-isovalerylcarnitine (CHEBI:73025) has role human metabolite (CHEBI:77746)
O-isovalerylcarnitine (CHEBI:73025) is a C5-acylcarnitine (CHEBI:86492)
Incoming Relation(s)
isovaleryl-L-carnitine (CHEBI:70819) is a O-isovalerylcarnitine (CHEBI:73025)
IUPAC Name 
3-[(3-methylbutanoyl)oxy]-4-(trimethylammonio)butanoate
Synonym  Source
3-methylbutyrylcarnitineChEBI
Manual XrefsDatabases
HMDB0000688HMDB
Registry NumbersSources
Reaxys:5814736Reaxys
Citations